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CHEMDIV-ZINC06739275

 MMsINC code: MMs01007642
Type: Neutral
Formula: C24H18N2O3S
SMILES:   s1c2c(N(Cc3ccccc3)C(=O)N(C2=O)c2ccc(OC)cc2)c2c1cccc2
InChI:   InChI=1/C24H18N2O3S/c1-29-18-13-11-17(12-14-18)26-23(27)22-21(19-9-5-6-10-20(19)30-22)25(24(26)28)15-16-7-3-2-4-8-16/h2-14H,15H2,1H3

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Potential Energy
Epot(MMFF94)=151.678 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 414.485 g/mol  logS: -7.02141  SlogP: 5.9633  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0762435  Sterimol/B1: 2.79845  Sterimol/B2: 4.68606  Sterimol/B3: 5.86625
  Sterimol/B4: 6.12889  Sterimol/L: 17.969 
 
 Surface and Volume Properties
  Accessible surface: 643.323  Positive charged surface: 354.585  Negative charged surface: 285.282  Volume: 378.875
  Hydrophobic surface: 572.79  Hydrophilic surface: 70.533
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.